1-[(4-hydroxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol

Systemtic Name: 1-[(4-hydroxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Openeye Name: 1-[(4-hydroxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol CAS Name: 1-[(4-hydroxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)-5-isoxazolyl]methyl]-4-piperidin-1-iumol IUPAC Name: 1-[(4-hydroxyphenyl)methyl]-4-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]piperidin-1-ium-4-ol Traditional Name: 1-(4-hydroxybenzyl)-4-[[3-(3-methoxyphenyl)isoxazol-5-yl]methyl]piperidin-1-ium-4-ol Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC=C(C=C4)O)O

Isomeric SMILES

COC1=CC=CC(=C1)C2=NOC(=C2)CC3(CC[NH+](CC3)CC4=CC=C(C=C4)O)O

InChI

InChI=1S/C23H26N2O4/c1-28-20-4-2-3-18(13-20)22-14-21(29-24-22)15-23(27)9-11-25(12-10-23)16-17-5-7-19(26)8-6-17/h2-8,13-14,26-27H,9-12,15-16H2,1H3/p+1